CID 710776

19250-09-0

Structural Information

Molecular Formula

C₇H₆Cl₂N₂S

SMILES

C1=CC(=C(C=C1NC(=S)N)Cl)Cl

InChI

InChI=1S/C7H6Cl2N2S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)

InChIKey

CCNCITSJXCSXJY-UHFFFAOYSA-N

Compound name

(3,4-dichlorophenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 137
Patents: 219.96288 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.97016	143.7
[M+Na]+	242.95210	156.2
[M+NH4]+	237.99670	153.1
[M+K]+	258.92604	147.2
[M-H]-	218.95560	147.0
[M+Na-2H]-	240.93755	150.0
[M]+	219.96233	147.4
[M]-	219.96343	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe